N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3-fluoranyl-benzenesulfonamide Openeye Name: 4-ethoxy-3-fluoro-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3-fluorobenzenesulfonamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: 4-ethoxy-3-fluoro-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)benzenesulfonamide Formula: C24H31FN2O5S MolecularWeight: 478.576743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C)F

InChI

InChI=1S/C24H31FN2O5S/c1-6-31-21-10-8-18(14-19(21)25)33(29,30)26-17-7-9-22-20(13-17)27(12-11-16(2)3)23(28)24(4,5)15-32-22/h7-10,13-14,16,26H,6,11-12,15H2,1-5H3